2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide

C8H4F6N2O2 — CID 11065630

IUPAC2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H4F6N2O2/c9-7(10,11)2-1-3(8(12,13)14)16-6(18)4(2)5(15)17/h1H,(H2,15,17)(H,16,18)
InChIKeyGPIUOOHEYPTBEI-UHFFFAOYSA-N
MW274.12 g/mol
LogP1.51
Rot. Bonds1

About 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 11065630) has the molecular formula C8H4F6N2O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID11065630
Molecular FormulaC8H4F6N2O2
Molecular Weight274.12 g/mol
Exact Mass274.02
IUPAC Name2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H4F6N2O2/c9-7(10,11)2-1-3(8(12,13)14)16-6(18)4(2)5(15)17/h1H,(H2,15,17)(H,16,18)
InChIKeyGPIUOOHEYPTBEI-UHFFFAOYSA-N
XLogP1.51
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 11065630) is 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GPIUOOHEYPTBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6N2O2/c9-7(10,11)2-1-3(8(12,13)14)16-6(18)4(2)5(15)17/h1H,(H2,15,17)(H,16,18).
What are the key properties of 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 274.12 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 11065630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).